alpha-Hydroxy-4-methoxybenzenepropanoic acid

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  • Identifiers

    CAS number
    28030-15-1

    Molecular formula
    C10H12O4

    SMILES
    COC1=CC=C(C=C1)CC(C(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 63.95%
    Vanilla 47.75%
    Honey 39.36%
    Creamy 38.45%
    Caramellic 38.25%
    Fruity 37.49%
    Balsamic 33.44%
    Powdery 30.67%
    Buttery 29.35%
    Milky 29.26%

     

    Flavor
    Sweet 60.13%
    Odorless 42.86%
    Fruity 41.99%
    Mild 31.39%
    Sour 25.99%
    Powdery 25.94%
    Creamy 25.82%
    Faint 23.67%
    Balsamic 22.93%
    Balsam 22.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.75 (neutral)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Melting point expt.

    • 104 - 105 °C

    Flash point

    • 178.42 ˚C est.

  • Synonyms

    • 2-hydroxy-3-(4-methoxyphenyl)propanoic acid
    • 28030-15-1
    • DTXSID401275109
    • RefChem:555745
    • DTXCID201511814
    • alpha-Hydroxy-4-methoxybenzenepropanoic acid
    • 871-348-6
    • BENZENEPROPANOICACID,A-HYDROXY-4-METHOXY-
    • BENZENEPROPANOIC ACID, A-HYDROXY-4-METHOXY-
    • SCHEMBL1371092
    • CHEBI:173970
    • DBA03015
    • MFCD07778404
    • AKOS006286609
    • SY144125
    • Benzenepropanoic acid,a-hydroxy-4-methoxy-
    • CS-0223149
    • I+/--Hydroxy-4-methoxybenzenepropanoic acid
    • EN300-114147
    • Z1198174222
    • 28030-15-1

  • Applications

    alpha-Hydroxy-4-methoxybenzenepropanoic acid (CAS 28030-15-1) is primarily employed as a fragrance intermediate and odorant precursor in perfumery, enabling synthesis of aroma compounds and esters; it is also evaluated as a chiral building block in cosmetics and personal care formulations. In the flavor industry, it may serve as an aroma-active intermediate for shaping flavor profiles. In pharmaceutical synthesis, it can act as a chiral building block or intermediate in the preparation of active compounds (subject to development and regulatory considerations). Additionally, it is considered as a potential precursor for specialty polymers or polyester materials in polymer chemistry. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.51
    methanol 178.76
    isopropanol 48.94
    water 13.53
    ethyl acetate 65.47
    n-propanol 39.19
    acetone 56.72
    n-butanol 37.66
    acetonitrile 17.24
    DMF 237.22
    toluene 7.79
    isobutanol 24.2
    1,4-dioxane 167.19
    methyl acetate 39.67
    THF 142.26
    2-butanone 24.96
    n-pentanol 29.22
    sec-butanol 30.92
    n-hexane 0.37
    ethylene glycol 198.32
    NMP 60.76
    cyclohexane 1.47
    DMSO 217.67
    n-butyl acetate 8.07
    n-octanol 11.86
    chloroform 4.52
    n-propyl acetate 14.44
    acetic acid 115.35
    dichloromethane 7.8
    cyclohexanone 37.07
    propylene glycol 141.62
    isopropyl acetate 25.91
    DMAc 271.54
    2-ethoxyethanol 291.27
    isopentanol 35.66
    n-heptane 1.58
    ethyl formate 32.76
    1,2-dichloroethane 9.78
    n-hexanol 22.11
    2-methoxyethanol 493.06
    isobutyl acetate 6.81
    tetrachloromethane 1.21
    n-pentyl acetate 7.28
    transcutol 173.97
    n-heptanol 15.17
    ethylbenzene 5.58
    MIBK 21.86
    2-propoxyethanol 103.65
    tert-butanol 154.87
    MTBE 27.36
    2-butoxyethanol 46.38
    propionic acid 43.28
    o-xylene 10.75
    formic acid 318.71
    diethyl ether 18.39
    m-xylene 9.39
    p-xylene 6.21
    chlorobenzene 4.27
    dimethyl carbonate 32.17
    n-octane 1.12
    formamide 417.59
    cyclopentanone 45.63
    2-pentanone 33.98
    anisole 25.65
    cyclopentyl methyl ether 33.11
    gamma-butyrolactone 71.18
    1-methoxy-2-propanol 240.44
    pyridine 26.35
    3-pentanone 17.7
    furfural 71.5
    n-dodecane 0.99
    diethylene glycol 202.28
    diisopropyl ether 6.51
    tert-amyl alcohol 75.26
    acetylacetone 62.4
    n-hexadecane 1.1
    acetophenone 26.01
    methyl propionate 50.55
    isopentyl acetate 9.93
    trichloroethylene 13.87
    n-nonanol 12.23
    cyclohexanol 38.19
    benzyl alcohol 36.89
    2-ethylhexanol 10.64
    isooctanol 12.55
    dipropyl ether 10.87
    1,2-dichlorobenzene 5.01
    ethyl lactate 26.58
    propylene carbonate 28.21
    n-methylformamide 143.31
    2-pentanol 24.73
    n-pentane 0.43
    1-propoxy-2-propanol 46.74
    1-methoxy-2-propyl acetate 30.58
    2-(2-methoxypropoxy) propanol 51.92
    mesitylene 7.02
    ε-caprolactone 41.41
    p-cymene 5.21
    epichlorohydrin 77.0
    1,1,1-trichloroethane 4.94
    2-aminoethanol 201.26
    morpholine-4-carbaldehyde 174.59
    sulfolane 83.29
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 48.64
    n-hexyl acetate 11.29
    isooctane 0.69
    2-(2-butoxyethoxy)ethanol 72.8
    sec-butyl acetate 10.18
    tert-butyl acetate 32.7
    decalin 1.17
    glycerin 278.46
    diglyme 121.52
    acrylic acid 47.12
    isopropyl myristate 7.07
    n-butyric acid 58.64
    acetyl acetate 27.84
    di(2-ethylhexyl) phthalate 11.06
    ethyl propionate 17.84
    nitromethane 177.52
    1,2-diethoxyethane 27.91
    benzonitrile 12.21
    trioctyl phosphate 7.83
    1-bromopropane 3.05
    gamma-valerolactone 116.12
    n-decanol 10.39
    triethyl phosphate 10.04
    4-methyl-2-pentanol 16.99
    propionitrile 11.11
    vinylene carbonate 26.36
    1,1,2-trichlorotrifluoroethane 79.66
    DMS 15.81
    cumene 4.89
    2-octanol 7.95
    2-hexanone 12.48
    octyl acetate 9.59
    limonene 6.83
    1,2-dimethoxyethane 192.44
    ethyl orthosilicate 10.03
    tributyl phosphate 7.99
    diacetone alcohol 84.8
    N,N-dimethylaniline 21.27
    acrylonitrile 19.85
    aniline 20.97
    1,3-propanediol 244.25
    bromobenzene 3.34
    dibromomethane 3.55
    1,1,2,2-tetrachloroethane 14.17
    2-methyl-cyclohexyl acetate 12.14
    tetrabutyl urea 16.39
    diisobutyl methanol 9.62
    2-phenylethanol 25.84
    styrene 5.61
    dioctyl adipate 13.49
    dimethyl sulfate 50.62
    ethyl butyrate 10.78
    methyl lactate 63.46
    butyl lactate 13.79
    diethyl carbonate 8.71
    propanediol butyl ether 46.62
    triethyl orthoformate 11.25
    p-tert-butyltoluene 5.57
    methyl 4-tert-butylbenzoate 27.81
    morpholine 204.99
    tert-butylamine 35.63
    n-dodecanol 8.89
    dimethoxymethane 164.35
    ethylene carbonate 23.16
    cyrene 58.18
    2-ethoxyethyl acetate 18.76
    2-ethylhexyl acetate 6.14
    1,2,4-trichlorobenzene 7.09
    4-methylpyridine 23.07
    dibutyl ether 7.69
    2,6-dimethyl-4-heptanol 9.62
    DEF 69.52
    dimethyl isosorbide 66.99
    tetrachloroethylene 9.85
    eugenol 32.39
    triacetin 21.36
    span 80 36.26
    1,4-butanediol 117.43
    1,1-dichloroethane 4.84
    2-methyl-1-pentanol 24.83
    methyl formate 102.0
    2-methyl-1-butanol 29.29
    n-decane 1.36
    butyronitrile 12.32
    3,7-dimethyl-1-octanol 12.02
    1-chlorooctane 3.53
    1-chlorotetradecane 2.45
    n-nonane 1.19
    undecane 1.14
    tert-butylcyclohexane 0.91
    cyclooctane 1.13
    cyclopentanol 39.62
    tetrahydropyran 38.83
    tert-amyl methyl ether 24.61
    2,5,8-trioxanonane 112.74
    1-hexene 1.55
    2-isopropoxyethanol 108.57
    2,2,2-trifluoroethanol 62.71
    methyl butyrate 23.01

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction